CID 231074

7148-05-2

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CCOC(=O)CCN1CCN(CC1)C
InChI
InChI=1S/C10H20N2O2/c1-3-14-10(13)4-5-12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChIKey
WQLYUEPNQYYYIH-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

200.15248 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.15976 148.2
[M+Na]+ 223.14170 153.1
[M-H]- 199.14520 147.9
[M+NH4]+ 218.18630 164.7
[M+K]+ 239.11564 152.3
[M+H-H2O]+ 183.14974 140.5
[M+HCOO]- 245.15068 165.1
[M+CH3COO]- 259.16633 185.3
[M+Na-2H]- 221.12715 150.9
[M]+ 200.15193 147.1
[M]- 200.15303 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe